#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wii s SER 2 N 0.00 -0.26 0.00 1.61 0.15 -1.26 -5.06 113.70 108.89 1wii s SER 2 Ca 0.00 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1wii s SER 2 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1wii s SER 2 CO 0.00 -0.10 0.00 -1.54 1.20 0.00 0.00 173.24 172.80 1wii n SER 3 N 1.82 4.73 0.00 5.45 3.41 -1.26 -5.15 113.62 122.63 1wii n SER 3 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1wii n SER 3 Cb 0.56 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1wii n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wii n GLY 4 N 2.75 1.23 3.67 5.00 0.00 -1.26 -5.13 105.19 111.45 1wii n GLY 4 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 1wii n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wii s SER 5 N -0.60 -0.16 -0.19 1.61 1.04 -1.26 -5.19 113.70 108.96 1wii s SER 5 Ca 0.00 -0.79 -0.34 0.00 0.48 0.00 0.00 55.95 55.30 1wii s SER 5 Cb 0.00 0.63 0.14 0.00 0.10 0.00 0.00 66.02 66.89 1wii s SER 5 CO 0.00 -1.20 1.20 -0.94 0.98 0.00 0.00 173.24 173.28 1wii s SER 6 N -2.97 -0.15 0.50 7.02 1.04 -1.26 -5.19 113.70 112.69 1wii s SER 6 Ca 0.18 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.65 1wii s SER 6 Cb -0.02 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1wii s SER 6 CO 0.07 -0.23 0.02 -0.83 0.98 0.00 0.00 173.24 173.25 1wii s GLY 7 N -2.03 2.97 0.13 7.32 0.00 -1.26 -5.16 107.32 109.30 1wii s GLY 7 Ca 0.09 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 1wii s GLY 7 CO -0.05 -2.15 1.07 1.09 0.00 0.00 0.00 173.10 173.07 1wii s ARG 8 N -3.85 1.08 -0.13 2.90 3.03 -1.26 -5.16 118.95 115.56 1wii s ARG 8 Ca 0.08 -0.66 -0.05 0.00 2.03 0.00 0.00 55.73 57.13 1wii s ARG 8 Cb 0.02 0.32 0.06 0.00 -1.03 0.00 0.00 34.95 34.33 1wii s ARG 8 CO 0.05 -0.50 0.26 0.21 -1.13 0.00 0.00 175.30 174.19 1wii s LYS 9 N -2.48 0.15 -0.11 3.89 2.20 -1.26 -5.13 119.74 117.00 1wii s LYS 9 Ca 0.19 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 56.26 1wii s LYS 9 Cb -0.01 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 1wii s LYS 9 CO 0.03 -0.29 1.53 -1.25 -0.36 0.00 0.00 175.35 175.01 1wii s PRO 10 N 2.42 4.16 -0.34 4.03 0.04 -1.26 -4.95 135.00 139.09 1wii s PRO 10 Ca 0.01 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1wii s PRO 10 Cb -0.12 -3.92 -0.01 0.00 0.04 0.00 0.00 34.50 30.48 1wii s PRO 10 CO -0.09 -0.85 1.69 -1.25 0.04 0.00 0.00 177.00 176.55 1wii s PRO 11 N 3.94 3.43 0.57 0.56 0.04 -1.26 -4.99 135.00 137.30 1wii s PRO 11 Ca 0.67 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 1wii s PRO 11 Cb -0.29 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 1wii s PRO 11 CO 0.25 -1.74 1.12 -1.25 0.04 0.00 0.00 177.00 175.42 1wii s PRO 12 N 5.41 3.21 -0.00 0.56 0.04 -1.26 -5.06 135.00 137.90 1wii s PRO 12 Ca 0.75 1.55 -0.28 0.00 0.04 0.00 0.00 61.00 63.06 1wii s PRO 12 Cb -0.21 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.44 1wii s PRO 12 CO 0.33 -0.95 0.87 0.21 0.04 0.00 0.00 177.00 177.50 1wii s LYS 13 N -3.50 0.85 -0.61 4.56 2.20 -1.26 -5.12 119.74 116.86 1wii s LYS 13 Ca 0.71 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1wii s LYS 13 Cb -0.23 0.39 0.16 0.00 -1.51 0.00 0.00 37.83 36.64 1wii s LYS 13 CO 0.31 -0.36 0.41 0.21 -0.36 0.00 0.00 175.35 175.55 1wii s LYS 14 N -2.97 2.45 -0.42 4.03 2.20 -1.26 -4.97 119.74 118.79 1wii s LYS 14 Ca 0.04 -2.57 0.04 0.00 -0.36 0.00 0.00 55.97 53.12 1wii s LYS 14 Cb -0.01 -3.64 0.17 0.00 -1.51 0.00 0.00 37.83 32.84 1wii s LYS 14 CO -0.08 -1.16 0.34 0.15 -0.36 0.00 0.00 175.35 174.24 1wii s LYS 15 N -0.15 0.97 0.31 4.03 1.02 -1.26 -5.12 119.74 119.53 1wii s LYS 15 Ca 0.17 -2.15 0.09 0.00 0.02 0.00 0.00 55.97 54.10 1wii s LYS 15 Cb -0.21 -1.51 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1wii s LYS 15 CO -0.03 -1.38 0.10 -1.64 -0.92 0.00 0.00 175.35 171.48 1wii s MET 16 N 0.01 2.40 -0.28 1.68 -1.94 -1.26 -5.12 119.30 114.80 1wii s MET 16 Ca 0.32 -1.46 -0.02 0.00 -1.71 0.00 0.00 55.69 52.82 1wii s MET 16 Cb 0.03 -2.21 0.03 0.00 2.01 0.00 0.00 34.83 34.69 1wii s MET 16 CO -0.19 0.23 -0.02 -0.08 -0.01 0.00 0.00 175.02 174.95 1wii s THR 17 N -2.36 3.07 0.00 2.05 -1.32 -1.26 -5.03 115.64 110.79 1wii s THR 17 Ca 0.35 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1wii s THR 17 Cb -0.04 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1wii s THR 17 CO 0.22 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1wii n GLY 18 N 4.68 0.33 1.69 6.08 0.00 -1.26 -5.11 105.19 111.60 1wii n GLY 18 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1wii n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wii n THR 19 N -0.56 -5.00 -2.15 2.61 -1.04 -1.26 -4.47 114.28 102.40 1wii n THR 19 Ca 0.00 2.32 -0.32 0.00 -2.04 0.00 0.00 64.05 64.01 1wii n THR 19 Cb 0.00 -3.30 -0.05 0.00 -1.82 0.00 0.00 70.33 65.16 1wii n THR 19 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1wii n LEU 20 N -1.32 3.59 -4.78 -4.42 0.00 -1.26 -4.94 117.00 103.87 1wii n LEU 20 Ca 0.00 -3.36 -0.35 0.00 0.00 0.00 0.00 56.01 52.30 1wii n LEU 20 Cb 0.12 -1.72 -0.01 0.00 0.00 0.00 0.00 43.42 41.81 1wii n LEU 20 CO 0.00 -1.29 0.77 -1.83 0.00 0.00 0.00 177.39 175.04 1wii s GLU 21 N 5.86 3.49 -0.27 1.96 -1.05 -1.26 -4.98 118.70 122.46 1wii s GLU 21 Ca 0.64 1.55 0.10 0.00 -0.15 0.00 0.00 54.97 57.11 1wii s GLU 21 Cb 0.01 -2.04 0.46 0.00 -0.44 0.00 0.00 34.13 32.11 1wii s GLU 21 CO 0.12 -0.72 1.19 -2.37 0.95 0.00 0.00 175.26 174.43 1wii n THR 22 N -1.18 2.30 -4.39 1.83 5.66 -1.26 -4.75 114.28 112.49 1wii n THR 22 Ca 0.11 -3.85 -0.27 0.00 -3.05 0.00 0.00 64.05 57.00 1wii n THR 22 Cb 0.51 -0.70 -0.12 0.00 -1.55 0.00 0.00 70.33 68.47 1wii n THR 22 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1wii s GLN 23 N -3.46 1.42 0.24 1.09 -0.21 -1.26 -3.85 119.66 113.62 1wii s GLN 23 Ca 0.46 -1.43 -0.21 0.00 0.02 0.00 0.00 55.36 54.20 1wii s GLN 23 Cb 0.39 -1.76 0.03 0.00 1.00 0.00 0.00 33.01 32.68 1wii s GLN 23 CO 0.01 0.39 0.65 -0.06 -2.12 0.00 0.00 175.29 174.16 1wii s PHE 24 N -1.50 -0.24 0.36 0.91 0.40 -1.25 -5.02 117.98 111.63 1wii s PHE 24 Ca 0.17 -0.14 -0.16 0.00 -0.60 0.00 0.00 56.93 56.20 1wii s PHE 24 Cb -0.08 0.61 -0.09 0.00 0.51 0.00 0.00 43.02 43.96 1wii s PHE 24 CO 0.08 -1.09 0.80 0.99 0.70 0.00 0.00 175.22 176.69 1wii s THR 25 N -3.88 4.61 -0.36 0.64 2.01 -1.26 -2.35 115.64 115.06 1wii s THR 25 Ca 0.09 1.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.96 1wii s THR 25 Cb -0.04 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1wii s THR 25 CO 0.01 -0.25 0.55 0.00 -0.69 0.00 0.00 174.62 174.24 1wii h PRO 27 N 8.49 0.00 0.19 0.00 0.13 -1.97 1.44 132.00 140.27 1wii h PRO 27 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1wii h PRO 27 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1wii h PRO 27 CO 0.80 0.26 -0.09 0.74 -0.23 0.00 0.00 178.00 179.48 1wii h PHE 28 N 0.00 -0.23 0.00 1.56 -1.00 -2.00 -3.41 116.94 111.87 1wii h PHE 28 Ca -0.00 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 1wii h PHE 28 Cb 0.69 0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 1wii h PHE 28 CO 0.00 0.09 -1.53 0.00 -1.61 0.00 0.00 178.31 175.26 1wii n ASN 30 N -3.18 -4.03 -1.17 0.00 4.13 0.49 -5.00 115.26 106.50 1wii n ASN 30 Ca -0.18 0.55 -0.02 0.00 1.68 0.00 0.00 54.58 56.61 1wii n ASN 30 Cb 0.65 -2.68 0.13 0.00 -1.54 0.00 0.00 39.78 36.34 1wii n ASN 30 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1wii n HIS 31 N 0.31 0.76 -2.51 3.10 8.25 -1.26 -4.97 115.22 118.90 1wii n HIS 31 Ca -0.02 -1.60 -0.04 0.00 -0.26 0.00 0.00 57.72 55.80 1wii n HIS 31 Cb 0.03 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 1wii n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1wii n GLU 32 N -0.81 -3.97 -3.11 -0.41 2.13 -1.26 -4.65 120.64 108.56 1wii n GLU 32 Ca 0.23 3.07 -0.00 0.00 0.66 0.00 0.00 57.16 61.12 1wii n GLU 32 Cb 0.82 -4.77 -0.00 0.00 0.27 0.00 0.00 31.44 27.75 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wii n LYS 33 N 1.34 -0.94 -2.69 5.31 5.02 -1.26 -4.97 118.16 119.97 1wii n LYS 33 Ca -0.30 1.14 -0.07 0.00 -2.02 0.00 0.00 58.31 57.06 1wii n LYS 33 Cb 0.47 -1.36 0.09 0.00 -0.02 0.00 0.00 35.03 34.22 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wii n SER 34 N 1.65 -0.85 -3.92 4.39 7.64 -0.99 -4.96 113.62 116.58 1wii n SER 34 Ca -0.01 -2.48 -0.17 0.00 1.01 0.00 0.00 58.87 57.22 1wii n SER 34 Cb 0.32 0.52 -0.15 0.00 -1.01 0.00 0.00 64.21 63.89 1wii n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wii s ASP 36 N 0.25 3.53 -0.30 0.00 -1.08 0.65 -3.86 116.67 115.85 1wii s ASP 36 Ca -0.02 -0.48 -0.10 0.00 -0.52 0.00 0.00 52.55 51.43 1wii s ASP 36 Cb -0.06 -1.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.86 1wii s ASP 36 CO -0.00 0.12 0.16 -0.69 0.52 0.00 0.00 175.17 175.28 1wii s VAL 37 N 0.60 4.79 -0.53 1.11 1.01 -1.25 -1.28 120.40 124.84 1wii s VAL 37 Ca -0.10 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1wii s VAL 37 Cb -0.16 -3.38 0.11 0.00 0.00 0.00 0.00 36.38 32.94 1wii s VAL 37 CO 0.03 0.13 0.52 -0.54 0.00 0.00 0.00 175.10 175.24 1wii s LYS 38 N 1.66 3.00 -0.82 2.72 1.02 0.88 -4.96 119.74 123.24 1wii s LYS 38 Ca 0.06 -1.52 -0.25 0.00 0.02 0.00 0.00 55.97 54.27 1wii s LYS 38 Cb -0.17 -4.25 0.04 0.00 -0.52 0.00 0.00 37.83 32.93 1wii s LYS 38 CO 0.07 -1.30 1.31 -1.64 -0.92 0.00 0.00 175.35 172.88 1wii s MET 39 N 1.85 3.31 -0.54 1.68 -1.94 -1.26 -1.18 119.30 121.22 1wii s MET 39 Ca 0.05 -0.55 -0.22 0.00 -1.71 0.00 0.00 55.69 53.27 1wii s MET 39 Cb -0.27 -4.54 0.05 0.00 2.01 0.00 0.00 34.83 32.08 1wii s MET 39 CO 0.05 -2.15 0.80 0.34 -0.01 0.00 0.00 175.02 174.05 1wii s ASP 40 N 4.09 6.28 -0.09 3.03 -1.08 -1.19 -4.91 116.67 122.79 1wii s ASP 40 Ca 0.38 -0.65 -0.23 0.00 -0.52 0.00 0.00 52.55 51.52 1wii s ASP 40 Cb -0.06 -2.37 -0.19 0.00 -1.46 0.00 0.00 42.92 38.84 1wii s ASP 40 CO 0.07 -1.09 0.80 0.03 0.52 0.00 0.00 175.17 175.50 1wii h ARG 41 N 9.19 -0.06 -1.20 4.34 2.47 -1.93 0.56 114.38 127.75 1wii h ARG 41 Ca -0.27 0.00 0.41 0.00 -1.26 0.00 0.00 59.98 58.86 1wii h ARG 41 Cb 1.08 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 29.28 1wii h ARG 41 CO 1.04 0.58 0.74 0.00 0.56 0.00 0.00 179.97 182.89 1wii h ALA 42 N -0.11 2.48 -0.00 0.04 0.00 -1.98 0.82 119.26 120.51 1wii h ALA 42 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wii h ALA 42 Cb 0.67 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wii h ALA 42 CO 0.01 -1.14 -0.51 0.54 0.00 0.00 0.00 179.25 178.15 1wii n ARG 43 N -4.86 2.21 -3.84 0.00 5.12 -1.24 -5.00 116.66 109.06 1wii n ARG 43 Ca 0.36 -0.29 -0.27 0.00 -1.93 0.00 0.00 57.85 55.72 1wii n ARG 43 Cb 1.31 -1.18 0.03 0.00 -1.16 0.00 0.00 32.46 31.47 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wii n ASN 44 N -0.88 -3.69 -3.67 0.55 3.02 0.28 -4.92 115.26 105.96 1wii n ASN 44 Ca 0.04 -0.79 -0.23 0.00 -0.03 0.00 0.00 54.58 53.57 1wii n ASN 44 Cb 0.25 -3.96 -0.17 0.00 -0.61 0.00 0.00 39.78 35.28 1wii n ASN 44 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wii s THR 45 N -3.42 0.03 -0.07 3.41 2.01 0.05 -0.52 115.64 117.12 1wii s THR 45 Ca 0.45 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1wii s THR 45 Cb -0.23 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1wii s THR 45 CO 0.82 0.00 1.01 -0.83 -0.69 0.00 0.00 174.62 174.93 1wii s GLY 46 N 2.10 2.49 -0.20 4.40 0.00 0.61 -3.20 107.32 113.52 1wii s GLY 46 Ca 0.03 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.20 1wii s GLY 46 CO -0.06 1.87 -0.16 0.14 0.00 0.00 0.00 173.10 174.89 1wii s VAL 47 N 1.75 2.04 0.34 1.40 1.01 -0.32 -0.58 120.40 126.04 1wii s VAL 47 Ca 0.50 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1wii s VAL 47 Cb -0.19 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1wii s VAL 47 CO 0.21 0.34 0.40 -0.51 0.00 0.00 0.00 175.10 175.53 1wii s ILE 48 N 1.25 3.72 0.10 2.22 2.07 0.01 -0.08 121.20 130.49 1wii s ILE 48 Ca 0.00 -1.17 -0.25 0.00 -1.41 0.00 0.00 60.65 57.82 1wii s ILE 48 Cb -0.15 -3.27 0.08 0.00 0.13 0.00 0.00 42.46 39.24 1wii s ILE 48 CO -0.10 -0.15 0.74 -0.94 -1.91 0.00 0.00 174.94 172.58 1wii s SER 49 N -4.11 -0.45 0.35 4.50 1.04 -0.40 -1.08 113.70 113.55 1wii s SER 49 Ca 0.44 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.87 1wii s SER 49 Cb -0.08 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1wii s SER 49 CO 0.29 -0.86 0.46 0.00 0.98 0.00 0.00 173.24 174.11 1wii n THR 51 N -1.63 2.00 0.02 0.00 -2.24 -0.45 -4.28 114.28 107.70 1wii n THR 51 Ca 0.01 -2.94 0.00 0.00 -2.27 0.00 0.00 64.05 58.85 1wii n THR 51 Cb 0.58 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1wii n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wii n VAL 52 N -1.04 0.00 0.12 2.28 0.31 -1.26 -4.90 118.33 113.85 1wii n VAL 52 Ca 0.18 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.62 1wii n VAL 52 Cb 0.71 -0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 33.14 1wii n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wii n LEU 54 N -2.45 -2.56 0.00 0.00 4.77 -1.26 -5.07 117.00 110.44 1wii n LEU 54 Ca -0.01 -0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1wii n LEU 54 Cb 0.54 -0.98 0.05 0.00 -2.33 0.00 0.00 43.42 40.71 1wii n LEU 54 CO 0.42 0.04 0.29 -0.62 -1.33 0.00 0.00 177.39 176.19 1wii n GLU 55 N -1.72 0.63 -3.63 3.23 1.02 -1.26 -4.89 120.64 114.01 1wii n GLU 55 Ca -0.03 -2.28 -0.07 0.00 -0.02 0.00 0.00 57.16 54.76 1wii n GLU 55 Cb 0.52 -0.22 -0.06 0.00 -0.02 0.00 0.00 31.44 31.67 1wii n GLU 55 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1wii s GLU 56 N -4.01 0.36 -0.12 3.49 2.12 -1.26 -3.10 118.70 116.19 1wii s GLU 56 Ca 0.46 0.29 -0.07 0.00 0.36 0.00 0.00 54.97 56.00 1wii s GLU 56 Cb -0.03 0.17 0.04 0.00 0.26 0.00 0.00 34.13 34.57 1wii s GLU 56 CO 0.29 -0.07 0.29 0.12 -0.54 0.00 0.00 175.26 175.35 1wii s PHE 57 N -0.29 -0.38 0.02 5.30 5.36 -0.24 -4.96 117.98 122.79 1wii s PHE 57 Ca 0.04 0.87 0.01 0.00 -0.96 0.00 0.00 56.93 56.89 1wii s PHE 57 Cb -0.03 0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.71 1wii s PHE 57 CO -0.07 -0.23 0.08 -0.65 -1.46 0.00 0.00 175.22 172.89 1wii s GLN 58 N 0.98 3.01 -0.23 10.12 -0.21 -1.26 -0.81 119.66 131.26 1wii s GLN 58 Ca -0.07 -0.55 -0.26 0.00 0.02 0.00 0.00 55.36 54.50 1wii s GLN 58 Cb -0.08 -2.82 0.08 0.00 1.00 0.00 0.00 33.01 31.20 1wii s GLN 58 CO -0.07 0.62 0.80 -0.08 -2.12 0.00 0.00 175.29 174.44 1wii s THR 59 N -1.26 0.00 0.19 -0.19 -1.32 0.25 -5.00 115.64 108.32 1wii s THR 59 Ca 0.25 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.43 1wii s THR 59 Cb -0.12 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.78 1wii s THR 59 CO 0.17 0.00 1.31 -2.16 -2.21 0.00 0.00 174.62 171.72 1wii s PRO 60 N -0.02 4.39 0.18 7.08 0.04 -1.26 0.23 135.00 145.63 1wii s PRO 60 Ca -0.01 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 1wii s PRO 60 Cb -0.04 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1wii s PRO 60 CO 0.01 -0.25 0.16 0.96 0.04 0.00 0.00 177.00 177.92 1wii s ILE 61 N 0.15 0.04 0.15 0.56 -5.25 0.32 -4.69 121.20 112.49 1wii s ILE 61 Ca 0.57 -1.82 0.02 0.00 -0.99 0.00 0.00 60.65 58.43 1wii s ILE 61 Cb -0.36 -2.21 -0.04 0.00 2.95 0.00 0.00 42.46 42.79 1wii s ILE 61 CO 0.38 -0.20 -0.02 0.42 -1.79 0.00 0.00 174.94 173.72 1wii s THR 62 N -4.08 0.71 0.56 8.37 -4.23 -1.26 -4.18 115.64 111.53 1wii s THR 62 Ca 0.29 -1.97 0.44 0.00 -1.18 0.00 0.00 61.69 59.26 1wii s THR 62 Cb 0.06 -2.00 0.65 0.00 1.34 0.00 0.00 72.50 72.55 1wii s THR 62 CO 0.06 -0.59 1.66 0.10 -0.54 0.00 0.00 174.62 175.32 1wii h TYR 63 N 2.77 0.00 0.06 3.99 -0.00 -1.97 1.69 116.97 123.51 1wii h TYR 63 Ca -0.36 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.12 1wii h TYR 63 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 1wii h TYR 63 CO 0.55 0.00 -1.17 -0.07 -0.00 0.00 0.00 178.16 177.47 1wii h LEU 64 N 0.00 0.20 -9.52 0.10 3.38 -2.05 -3.46 115.31 103.96 1wii h LEU 64 Ca 0.75 -0.23 -0.51 0.00 0.09 0.00 0.00 57.88 57.99 1wii h LEU 64 Cb 3.08 -0.07 0.23 0.00 0.09 0.00 0.00 40.66 43.99 1wii h LEU 64 CO -0.01 1.18 -1.21 -1.20 0.09 0.00 0.00 178.44 177.30 1wii n SER 65 N -3.42 -3.02 -4.26 -0.43 7.64 0.58 -5.03 113.62 105.68 1wii n SER 65 Ca -0.06 0.14 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 1wii n SER 65 Cb 0.99 -0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 1wii n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wii s GLU 66 N -3.09 1.09 0.00 1.43 2.02 -1.26 -4.87 118.70 114.02 1wii s GLU 66 Ca 0.51 -1.48 0.15 0.00 0.02 0.00 0.00 54.97 54.17 1wii s GLU 66 Cb -0.14 -0.61 0.70 0.00 0.10 0.00 0.00 34.13 34.18 1wii s GLU 66 CO 0.70 0.05 1.42 -0.35 0.02 0.00 0.00 175.26 177.10 1wii n PRO 67 N -0.22 0.14 -0.02 0.39 -0.04 -1.26 -2.52 135.00 131.47 1wii n PRO 67 Ca -0.10 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1wii n PRO 67 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 1wii n PRO 67 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wii n VAL 68 N -1.36 1.66 0.02 0.52 3.14 -1.26 -4.13 118.33 116.92 1wii n VAL 68 Ca 0.06 -0.75 -0.12 0.00 -2.96 0.00 0.00 64.34 60.57 1wii n VAL 68 Cb 0.13 -1.26 -0.08 0.00 -1.06 0.00 0.00 33.84 31.57 1wii n VAL 68 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1wii h ASP 69 N 0.02 0.01 -0.95 6.55 3.58 -1.91 -2.92 116.42 120.80 1wii h ASP 69 Ca -0.35 -0.21 0.23 0.00 0.42 0.00 0.00 57.03 57.12 1wii h ASP 69 Cb 2.03 -0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.95 1wii h ASP 69 CO 0.08 0.22 0.50 0.58 -2.88 0.00 0.00 179.24 177.73 1wii h VAL 70 N -0.20 0.51 0.90 2.25 2.07 -1.74 -0.88 116.25 119.16 1wii h VAL 70 Ca 0.00 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1wii h VAL 70 Cb 0.21 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1wii h VAL 70 CO -0.00 0.09 -0.44 0.22 0.02 0.00 0.00 177.57 177.46 1wii h TYR 71 N 0.50 -1.13 -0.94 1.57 3.20 -1.67 -0.70 116.97 117.79 1wii h TYR 71 Ca 0.60 -0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.62 1wii h TYR 71 Cb 1.14 0.38 -0.10 0.00 1.54 0.00 0.00 36.73 39.68 1wii h TYR 71 CO -0.07 -0.70 0.54 1.03 -1.64 0.00 0.00 178.16 177.32 1wii h SER 72 N -1.22 0.67 -0.31 -2.11 0.87 -1.18 -0.69 113.55 109.58 1wii h SER 72 Ca -0.12 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1wii h SER 72 Cb 0.93 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1wii h SER 72 CO 0.20 0.24 0.13 0.44 -0.53 0.00 0.00 176.83 177.32 1wii h ASP 73 N 0.70 0.41 -0.89 6.23 5.19 -0.97 -2.63 116.42 124.46 1wii h ASP 73 Ca 0.54 -0.15 0.15 0.00 -0.62 0.00 0.00 57.03 56.95 1wii h ASP 73 Cb 0.81 -0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.14 1wii h ASP 73 CO -0.38 0.45 0.58 -0.25 -3.12 0.00 0.00 179.24 176.51 1wii h TRP 74 N 0.35 0.80 0.24 4.55 7.01 0.41 -2.48 115.95 126.84 1wii h TRP 74 Ca 0.10 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1wii h TRP 74 Cb 0.15 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 1wii h TRP 74 CO -0.01 0.28 -0.12 0.82 -2.79 0.00 0.00 178.44 176.63 1wii h ILE 75 N 0.67 0.00 -0.88 2.65 1.08 -1.07 0.32 117.51 120.28 1wii h ILE 75 Ca 0.45 -0.01 0.26 0.00 -0.39 0.00 0.00 64.86 65.17 1wii h ILE 75 Cb 0.76 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1wii h ILE 75 CO -0.21 0.00 0.97 -0.78 -0.69 0.00 0.00 178.15 177.44 1wii h ASP 76 N -0.34 0.00 0.59 1.72 1.82 -1.38 1.70 116.42 120.52 1wii h ASP 76 Ca -0.03 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.33 1wii h ASP 76 Cb 0.25 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.21 1wii h ASP 76 CO 0.05 0.00 -1.57 0.00 -1.61 0.00 0.00 179.24 176.11 1wii h ALA 77 N 0.89 0.70 0.06 -0.78 0.00 -1.07 -3.36 119.26 115.70 1wii h ALA 77 Ca 0.42 -1.36 -0.24 0.00 0.00 0.00 0.00 54.91 53.73 1wii h ALA 77 Cb 2.35 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.51 1wii h ALA 77 CO -0.00 1.52 -1.07 0.00 0.00 0.00 0.00 179.25 179.69 1wii h GLU 79 N 0.08 0.20 -5.23 0.00 4.39 -0.77 -3.44 114.58 109.82 1wii h GLU 79 Ca -0.08 -0.01 -0.44 0.00 0.34 0.00 0.00 59.36 59.16 1wii h GLU 79 Cb 1.77 -0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 30.24 1wii h GLU 79 CO 0.17 0.13 -0.64 0.45 -1.16 0.00 0.00 179.01 177.96 1wii s SER 80 N -5.30 2.24 0.65 1.42 0.15 -1.25 -5.13 113.70 106.49 1wii s SER 80 Ca -0.13 -1.29 0.03 0.00 0.70 0.00 0.00 55.95 55.26 1wii s SER 80 Cb 0.14 -0.06 0.11 0.00 -1.71 0.00 0.00 66.02 64.50 1wii s SER 80 CO 0.72 -0.53 0.90 -0.83 1.20 0.00 0.00 173.24 174.70 1wii s GLY 81 N -3.42 1.76 0.00 9.45 0.00 -1.26 -4.72 107.32 109.13 1wii s GLY 81 Ca 0.33 -1.86 0.15 0.00 0.00 0.00 0.00 44.72 43.34 1wii s GLY 81 CO 0.13 -1.36 1.37 -1.55 0.00 0.00 0.00 173.10 171.68 1wii n PRO 82 N -2.57 0.41 0.00 2.90 -0.04 -1.26 -4.86 135.00 129.58 1wii n PRO 82 Ca 0.15 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1wii n PRO 82 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1wii n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wii n SER 83 N -1.08 0.00 -3.41 3.54 2.88 -1.26 -4.96 113.62 109.33 1wii n SER 83 Ca 0.10 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.29 1wii n SER 83 Cb 0.07 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1wii n SER 83 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wii n SER 84 N 2.88 -1.50 0.00 -3.46 7.64 -1.26 -5.32 113.62 112.61 1wii n SER 84 Ca 0.00 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1wii n SER 84 Cb 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64